N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

C15H26N2 — CID 115202005

IUPACN'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-13-7-8-14(2)15(11-13)12-17(4)10-6-5-9-16-3/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyDENWDDBPEJTMFI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.73
Rot. Bonds7

About N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115202005) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
PubChem CID115202005
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-13-7-8-14(2)15(11-13)12-17(4)10-6-5-9-16-3/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyDENWDDBPEJTMFI-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197901
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (CID 115202005) is N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)Cc1cc(C)ccc1C.
What is the InChIKey of N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is DENWDDBPEJTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-7-8-14(2)15(11-13)12-17(4)10-6-5-9-16-3/h7-8,11,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).